N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide

C11H24N2O3S — CID 55009781

IUPACN-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C11H24N2O3S/c1-16-8-9-17(14,15)13-11(10-12)6-4-2-3-5-7-11/h13H,2-10,12H2,1H3
InChIKeyPTLGSZVZGFZFTQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.60
Rot. Bonds6

About N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide (PubChem CID 55009781) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
PubChem CID55009781
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C11H24N2O3S/c1-16-8-9-17(14,15)13-11(10-12)6-4-2-3-5-7-11/h13H,2-10,12H2,1H3
InChIKeyPTLGSZVZGFZFTQ-UHFFFAOYSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide
CID 28940676
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
CID 28940678
N-[1-(aminomethyl)cycloheptyl]propane-1-sulfonamide
CID 28940680
N-[(1-aminocycloheptyl)methyl]methanesulfonamide
CID 43598330
N-[(1-aminocycloheptyl)methyl]propane-1-sulfonamide
CID 43598334
N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide
CID 43598336
N-[(1-aminocycloheptyl)methyl]ethanesulfonamide
CID 43598337
N-(2-amino-1-cyclohexylethyl)-2-methoxyethanesulfonamide
CID 55009587
N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
CID 55009780
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009782

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide (CID 55009781) is N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide?
The InChIKey is PTLGSZVZGFZFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-16-8-9-17(14,15)13-11(10-12)6-4-2-3-5-7-11/h13H,2-10,12H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 55009781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).